3-[4-(3-bromophenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-bromophenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-bromobenzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-bromobenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-bromobenzoyl)piperazino]propionic acid Formula: C14H17BrN2O3 MolecularWeight: 341.20038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C14H17BrN2O3/c15-12-3-1-2-11(10-12)14(20)17-8-6-16(7-9-17)5-4-13(18)19/h1-3,10H,4-9H2,(H,18,19)